Fig. 5: Microscopic analysis.
From: Ab initio quantum many-body description of superconducting trends in the cuprates
A Norm of different blocks of coupled-cluster amplitudes (N: normal fluctuations, N ± 2, N ± 4 anomalous fluctuations). B Singular values of different T2 decompositions [spin conserving (ΔSz = 0) or spin fluctuating (ΔSz = ± 1)] in an ab initio cuprate calculation (CCO, ambient pressure); inset: T2 decomposition in the one-band Hubbard model plaquette DMET at U = 6). C Effect of the largest singular mode of T1 on the charge density n (red: n increase; blue: n decrease): charge shifts from oxygen to copper. D Effect of the largest singular mode of T2 (spin-conserving decomposition) on the charge density: charge shifts from Cu 3d to empty Cu orbitals (breathing) and to O. E Effect of the largest left, right singular modes of T2 (spin-fluctuating decomposition) on the spin density: the moments along the diagonal increase (red)/decrease (blue). F SC order (a residual SC associated with the lattice smearing temperature has been subtracted, see Section 3.3 of ref. 34) from different variants of solvers: CCSD includes all 4 classes of diagrams (not limited to those shown), ring CC contains direct and exchange ring terms, whereas direct-ring CC only contains the direct-ring terms.
